N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene

C97H169N — CID 158165344

IUPACN,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene
SMILESC.C.C.C.CC.CC.CCC.CCC.CCC.CCC.CCN(CC)CC.CCc1cc(CC)cc(-c2c(CC)c(CC)c(CC)c(CC)c2CC)c1.CCc1cc(CC)cc(CC)c1.Cc1cc(C)c(C)cc1C.Cc1ccc(C)c(C)c1C.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H38.C13H10.C12H18.2C10H14.C6H15N.4C3H8.2C2H6.4CH4/c1-8-18-15-19(9-2)17-20(16-18)26-24(13-6)22(11-4)21(10-3)23(12-5)25(26)14-7;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4-10-7-11(5-2)9-12(6-3)8-10;1-7-5-9(3)10(4)6-8(7)2;1-7-5-6-8(2)10(4)9(7)3;1-4-7(5-2)6-3;4*1-3-2;2*1-2;;;;/h15-17H,8-14H2,1-7H3;1-8H,9H2;7-9H,4-6H2,1-3H3;2*5-6H,1-4H3;4-6H2,1-3H3;4*3H2,1-2H3;2*1-2H3;4*1H4
InChIKeyFWTRLWBJVULAPC-UHFFFAOYSA-N
MW1349.43 g/mol
LogP31.37
Rot. Bonds14

About N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene

N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene (PubChem CID 158165344) has the molecular formula C97H169N and a molecular weight of 1349.43 g/mol. Its IUPAC name is N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene.

Molecular Properties

Compound NameN,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene
PubChem CID158165344
Molecular FormulaC97H169N
Molecular Weight1349.43 g/mol
Exact Mass1348.33
IUPAC NameN,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene
SMILESC.C.C.C.CC.CC.CCC.CCC.CCC.CCC.CCN(CC)CC.CCc1cc(CC)cc(-c2c(CC)c(CC)c(CC)c(CC)c2CC)c1.CCc1cc(CC)cc(CC)c1.Cc1cc(C)c(C)cc1C.Cc1ccc(C)c(C)c1C.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H38.C13H10.C12H18.2C10H14.C6H15N.4C3H8.2C2H6.4CH4/c1-8-18-15-19(9-2)17-20(16-18)26-24(13-6)22(11-4)21(10-3)23(12-5)25(26)14-7;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4-10-7-11(5-2)9-12(6-3)8-10;1-7-5-9(3)10(4)6-8(7)2;1-7-5-6-8(2)10(4)9(7)3;1-4-7(5-2)6-3;4*1-3-2;2*1-2;;;;/h15-17H,8-14H2,1-7H3;1-8H,9H2;7-9H,4-6H2,1-3H3;2*5-6H,1-4H3;4-6H2,1-3H3;4*3H2,1-2H3;2*1-2H3;4*1H4
InChIKeyFWTRLWBJVULAPC-UHFFFAOYSA-N
XLogP31.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.43
LogP ≤ 531.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene with MolForge

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Related Compounds

2-ethyl-4-methyl-9H-fluorene
CID 150403501
2-[(3,5-diethylphenyl)methyl]-9H-fluorene
CID 167699473
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
CID 159627808
ethane;2-ethyltriphenylene;9H-fluorene
CID 158463433
ethane;9H-fluorene;methane;methoxyethane;propane
CID 159155851
ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene
CID 158173229
3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173085149
bis(9H-fluorene);methane;pentane
CID 158815702
ethane;3-ethyl-5-methyl-4H-pyrazole;bis(9H-fluorene);propane
CID 157189306
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
ethanamine;9H-fluorene
CID 158316259
ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
CID 167662682

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene?
The IUPAC name of N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene (CID 158165344) is N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene.
What is the SMILES notation for N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene?
The canonical SMILES for N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene is C.C.C.C.CC.CC.CCC.CCC.CCC.CCC.CCN(CC)CC.CCc1cc(CC)cc(-c2c(CC)c(CC)c(CC)c(CC)c2CC)c1.CCc1cc(CC)cc(CC)c1.Cc1cc(C)c(C)cc1C.Cc1ccc(C)c(C)c1C.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene?
The InChIKey is FWTRLWBJVULAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38.C13H10.C12H18.2C10H14.C6H15N.4C3H8.2C2H6.4CH4/c1-8-18-15-19(9-2)17-20(16-18)26-24(13-6)22(11-4)21(10-3)23(12-5)25(26)14-7;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4-10-7-11(5-2)9-12(6-3)8-10;1-7-5-9(3)10(4)6-8(7)2;1-7-5-6-8(2)10(4)9(7)3;1-4-7(5-2)6-3;4*1-3-2;2*1-2;;;;/h15-17H,8-14H2,1-7H3;1-8H,9H2;7-9H,4-6H2,1-3H3;2*5-6H,1-4H3;4-6H2,1-3H3;4*3H2,1-2H3;2*1-2H3;4*1H4.
What are the key properties of N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene?
N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene has a molecular weight of 1349.43 g/mol, XLogP of 31.37, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;1-(3,5-diethylphenyl)-2,3,4,5,6-pentaethylbenzene;ethane;9H-fluorene;methane;propane;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5-triethylbenzene is sourced from PubChem (CID 158165344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).